DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:39 UTC
Update Date	2025-03-25 00:51:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186845
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₅N₅O₅
Molecular Mass	415.1856
SMILES	NCCc1cn2c(n1)CN(c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CC2
InChI Key	FCBDXCLUXLGWKP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aminobenzamides aniline and substituted anilines aralkylamines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazoles monoalkylamines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl aralkylamine benzamide organic oxide aromatic heteropolycyclic compound imidazole tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines heteroaromatic compound benzoic acid or derivatives glutamic acid or derivatives carboxamide group aminobenzamide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound amine organooxygen compound

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